Geometry & MOs

Info

ID:	245212
PubChem CID:	99437905
Reduced:	BrSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	461.198442
ΔH_f, kcal/mol:	-29.52
Dipole, Da:	7.5
IP(EA), eV:	-8.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-2-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-3-yl]-5-(4-methoxyphenyl)-5-oxopentanamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations